N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide

C18H21BrN2OS — CID 43836758

IUPACN-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1Cc1cccc(Br)c1
InChIInChI=1S/C18H21BrN2OS/c1-12-16(11-13-6-5-9-15(19)10-13)23-18(20-12)21-17(22)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,20,21,22)
InChIKeyNWQHNDNGQZKDEF-UHFFFAOYSA-N
MW393.35 g/mol
LogP5.32
Rot. Bonds4

About N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 43836758) has the molecular formula C18H21BrN2OS and a molecular weight of 393.35 g/mol. Its IUPAC name is N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID43836758
Molecular FormulaC18H21BrN2OS
Molecular Weight393.35 g/mol
Exact Mass392.06
IUPAC NameN-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1Cc1cccc(Br)c1
InChIInChI=1S/C18H21BrN2OS/c1-12-16(11-13-6-5-9-15(19)10-13)23-18(20-12)21-17(22)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,20,21,22)
InChIKeyNWQHNDNGQZKDEF-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.35
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120589505
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 43837141
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836600
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43836812
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43837087
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 122150532
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
1-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(2-oxoazepan-3-yl)urea
CID 167959119
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
(2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788775

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 43836758) is N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide is Cc1nc(NC(=O)C2CCCCC2)sc1Cc1cccc(Br)c1.
What is the InChIKey of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is NWQHNDNGQZKDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2OS/c1-12-16(11-13-6-5-9-15(19)10-13)23-18(20-12)21-17(22)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 393.35 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 43836758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).